2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile

C13H20N4 — CID 114770189

IUPAC2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile
SMILESCCCCC(CN)Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C13H20N4/c1-3-4-5-12(9-15)17-13-7-11(8-14)6-10(2)16-13/h6-7,12H,3-5,9,15H2,1-2H3,(H,16,17)
InChIKeyBMYRZPFVBALQRJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.19
Rot. Bonds6

About 2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile

2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile (PubChem CID 114770189) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile
PubChem CID114770189
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile
SMILESCCCCC(CN)Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C13H20N4/c1-3-4-5-12(9-15)17-13-7-11(8-14)6-10(2)16-13/h6-7,12H,3-5,9,15H2,1-2H3,(H,16,17)
InChIKeyBMYRZPFVBALQRJ-UHFFFAOYSA-N
XLogP2.19
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminohexan-2-ylamino)-3,5-difluorobenzonitrile
CID 81294220
2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114770092
2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 114765995
2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766702
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine
CID 80704301
6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028897
methyl 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-3-hydroxypropanoate
CID 114770412
2-N-(6-methyl-2-pyridinyl)pentane-1,2-diamine
CID 65192485
2-(1-aminohexan-2-ylamino)-5-bromobenzonitrile
CID 114894145
2-(1-aminohexan-2-ylamino)-4-chlorobenzonitrile
CID 80703850

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile (CID 114770189) is 2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile is CCCCC(CN)Nc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile?
The InChIKey is BMYRZPFVBALQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-4-5-12(9-15)17-13-7-11(8-14)6-10(2)16-13/h6-7,12H,3-5,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile?
2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114770189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).